Defect formation processes during the solid-phase epitaxy of Si in the [001] direction were investigated on the basis of molecular dynamics simulations by using the Tersoff potential. Two different types of defect formation processes were successfully observed in the molecular dynamics simulations. They could be characterized by the structure of

Si-Si dimer bonds created at the amorphous/crystalline interface in the initial stage of the defect formation. In the first type, the Si-Si dimer bonds form coupled dimer lines and these coupled dimer lines lead to the creation of {111} stacking faults. In the second type, the Si-Si dimer bonds form a single dimer line which leads to the creation of [111] twins.

Molecular Dynamics Simulations of Solid-Phase Epitaxy of Si - Defect Formation Processes. S.Munetoh, K.Moriguchi, A.Shintani, K.Nishihira, T.Motooka: Physical Review B, 2001, 64[19], 193314 (4pp)